SCHEMBL2615375

SCHEMBL2615375

O=C1CCC(=O)C12CCN(CCCCN1CCN(c3ncc([18F])cn3)CC1)CC2

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.61
SIGMAR1 Q99720 10/20 0.56
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
DRD2 P14416 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2615376 1.00 HTR1A (0.61) HTR1ASIGMAR1KDM4ECYP1A2GAA
SCHEMBL7521159 0.79 SIGMAR1 (0.66) HTR1ASIGMAR1KDM4ECYP1A2GAA
SCHEMBL30350966 0.76 SIGMAR1 (0.66) HTR1ASIGMAR1KDM4ECYP1A2GAA
SCHEMBL10911831 0.76 HTR1A (1.00) HTR1ASIGMAR1KDM4ECYP1A2CYP2C9
SCHEMBL9672260 0.76 HTR1A (0.59) HTR1ASIGMAR1
SCHEMBL9766008 0.75 SIGMAR1 (0.60) HTR1ASIGMAR1KDM4ECYP1A2GAA
SCHEMBL9671074 0.75 HTR1A (0.58) HTR1ASIGMAR1
SCHEMBL13532482 0.75 HTR1A (1.00) HTR1ASIGMAR1KDM4ECYP1A2CYP2C9
SCHEMBL7991554 0.75 HTR1A (0.60) HTR1ASIGMAR1
SCHEMBL7855443 0.75 SIGMAR1 (0.63) HTR1ASIGMAR1KDM4ECYP1A2GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS HTR1A 3795/4885SIGMAR1 1165/4885KDM4E 2391/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.